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Category Archives: ab initio
Predicting the optical read-out of a qubit from first principles
Phonon-assisted luminescence is a key property of defect centers in semiconductors. It can be measured to perform the readout of the information stored in a quantum bit or used to detect temperature variations. The investigation of phonon-assisted luminescence is now … Continue reading
Posted in 2D materials, ab initio, Boron Nitride BN, quantum bit qubit, quantum materials, Zeila
Tagged ab initio, quantum materials
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Focus on Women in 2D Materials Science
A recent study led by Dr. Zeila Zanolli of the ICN2 Theory and Simulation group, on spectroscopic properties of few-layer tin chalcogenides, has been published on a special issue of the Journal of Physics Materials. This edition, called “Women’s Perspectives … Continue reading
Posted in 2D materials, ab initio, chalcogenides, ETSF, nanoscience, publication, science, spectroscopy, Zeila
Tagged 2D materials, chalcogenides, science, theoretical spectroscopy, WomenInScience
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Graphene controls surface magnetism at room temperature
In a refreshing change of perspective, theoretical physicist Dr Zeila Zanolli has looked at the proximity effects of graphene on a magnetic semiconducting substrate, finding it to affect the substrate’s magnetism down to several layers below the surface. Her paper … Continue reading
Posted in ab initio, graphene, interfaces, magnetism, prize, publication, science, spintronics, Zeila
Tagged computational materials science, DFT, graphene, interfaces, MaX Center of Excellence, prize, spintronics
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Metal-Insulator in semiconductor surfaces
Just published! Quasi-One-Dimensional Metal-Insulator Transitions in Compound Semiconductor Surfaces. Existing examples of Peierls-type 1D systems on surfaces involve depositing metallic overlayers on semiconducting substrates, in particular, at step edges. Here we propose a new class of Peierls system on the … Continue reading
Posted in ab initio, functional materials, III-V materials, publication, science, Zeila
Tagged ab initio, functional materials, III-V semiconductors
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21st ETSF Workshop on Electronic Excitations: Dynamics and spectroscopy of correlated systems
Download here the poster announcement (A3 format) of the 21st ETSF Workshop on Electronic Excitations! The workshop, which focuses on the Dynamics and Spectroscopy of Correlated Systems, will be held in Lund, 19-23 September 2016. Registration is open at https://workshop.etsf.eu/. … Continue reading
Posted in ab initio, conference, ETSF, magnetism, multiferroics
Tagged ab initio, complex systems, conference, ETSF, magnetism, multiferroics, workshop
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21st ETSF Workshop: Registration Open!
Registration is open for the 21st edition of the ETSF Workshop! The workshop will be held at Lund University, on September 19 – 23, 2016. This year topic is “Dynamics and spectroscopy of correlated systems”. Please see below a list … Continue reading
21st ETSF Workshop: Dynamics and spectroscopy of correlated systems
I am co-organizing the 21st edition of the ETSF Workshop on Electronic Excitations “Dynamics and spectroscopy of correlated systems”. The workshop will be held at Lund University, September 19 – 23, 2016: https://workshop.etsf.eu/ The 2016 edition will focus on emergent … Continue reading
Posted in ab initio, conference, ETSF, magnetism, multiferroics, oxides, Zeila
Tagged ab initio, complex systems, conference, ETSF, magnetism, multiferroics, oxides, spintronics
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Size- and shape-dependent phase diagram of In–Sb nano-alloys
In collaboration with Lund University, here comes our latest research paper on phase stability of InSb nanoalloys. Work by Masoomeh Ghasemi, myself, Martin Stankovski and Jonas Johansson. Just published in Nanoscale: Size- and shape-dependent phase diagram of In–Sb nano-alloys Nano-scale … Continue reading
Posted in ab initio, CALPHAD, III-V materials, phase diagram, publication
Tagged ab initio, CALPHAD, III-V, phase diagram, publication
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The intriguing phase diagram of BiFeO3/LaFeO3 superlattices
… want to know more about it? Just have a look at the paper Phase diagram of BiFeO3/LaFeO3 superlattices studied by x-ray diffraction experiments and first-principles calculations recently published in Physical Review B by Gijsbert Rispens, Benedikt Ziegler, Zeila Zanolli, Jorge … Continue reading
Posted in ab initio, functional materials, oxides, publication, Zeila
Tagged ab initio, complex systems, multiferroics, publication
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Quantum Materials by Design 